[QE-users] difference between parallel system and single laptop

[Yun Wang]

Dear Reza,


It seems that you chose the different energy ranges.


In the first one, the energy is from 5 to 20 eV.


And in the second one, the energy is from 0.5 to 2.0 eV.


Best,

Yun


Dr Yun Wang | Senior Lecturer PhD
Centre for Clean Environment and Energy | School of Environment & Science
Griffith University | Gold Coast campus | QLD 4215 | G24 Room 3.36
T +61 7 5552 8358 |  email yun.wang at griffith.edu.au<mailto:yun.wang at griffith.edu.au>

https://experts.griffith.edu.au/academic/yun.wang

Griffith University - CRICOS Provider Number 00233E
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________________________________
From: users <users-bounces at lists.quantum-espresso.org> on behalf of Seyed Hamid Reza Shojaei <shojaei81 at gmail.com>
Sent: Saturday, September 29, 2018 4:33:40 AM
To: users at lists.quantum-espresso.org
Subject: [QE-users] difference between parallel system and single laptop

Dear All,

We did band structure calculation for Barium Titanate under strain., eventually we run the same input on different platforms, supercomputer and laptop, the strange thing is that we found different results ( one order magnitude) I was wondering if some one else has such experience and what can cause such a problem. the different bands are also herewith.

Regards,
   Reza
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